1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide

C15H18F3N7O — CID 86207588

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C15H18F3N7O/c1-8-6-9(2)20-14(19-8)25-5-3-4-10(7-25)11(26)21-13-22-12(23-24-13)15(16,17)18/h6,10H,3-5,7H2,1-2H3,(H2,21,22,23,24,26)
InChIKeyZVYRNZGOLJYCJC-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.09
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide (PubChem CID 86207588) has the molecular formula C15H18F3N7O and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
PubChem CID86207588
Molecular FormulaC15H18F3N7O
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C15H18F3N7O/c1-8-6-9(2)20-14(19-8)25-5-3-4-10(7-25)11(26)21-13-22-12(23-24-13)15(16,17)18/h6,10H,3-5,7H2,1-2H3,(H2,21,22,23,24,26)
InChIKeyZVYRNZGOLJYCJC-UHFFFAOYSA-N
XLogP2.09
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide (CID 86207588) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(C(F)(F)F)n3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The InChIKey is ZVYRNZGOLJYCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7O/c1-8-6-9(2)20-14(19-8)25-5-3-4-10(7-25)11(26)21-13-22-12(23-24-13)15(16,17)18/h6,10H,3-5,7H2,1-2H3,(H2,21,22,23,24,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 86207588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).